journal article·2022-11

Quantum conductance of MoS$$_2$$ armchair strained nanoribbons: a theoretical study

F. Tabatabaei, I. Abdolhosseini Sarsari, B. Ghavami, A. Bafekry, C. Stampfl

Applied Physics A· Volume 128· Issue 11
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Abstract

Molybdenum disulfide (MoS(_2)) is a layered transition metal dichalcogenide (TMDC), which has a direct bandgap of 1.8 eV in its monolayer form. This large bandgap makes MoS(_2) a good candidate for use in transistors. Density-functional theory studies the effect of strain and width on the electronic band structure. Furthermore, the transport properties of MoS(_2)-bare and MoS(_2)-passivated armchair nanoribbons are presented. We focus on the quantum conductance and band structure of the MoS(_2)-bare and MoS(_2)-passivated armchair nanoribbons by applying the Wannier function, and Non-Equilibrium Green’s Function approaches for different widths and strains in the range −15 to (+)15%. Our results indicate that MoS(_2)-passivated armchair nanoribbons are good candidates for transistors, composites, and the fabrication of flexible electronic devices.
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Research context

OpenAlex topics: 2D Materials and Applications · Graphene research and applications · MXene and MAX Phase Materials

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